SCHEMBL14587796

SCHEMBL14587796

O=Cc1cnc(-c2cccc(-c3nc4c(Cl)cccc4[nH]3)c2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.46
ADORA1 P30542 1/20 0.46
MGAM O43451 6/20 0.45
GAA P10253 6/20 0.45
SI P14410 6/20 0.45
MGAM2 Q2M2H8 6/20 0.45
PARP1 P09874 9/20 0.44
PTGES O14684 1/20 0.38
PSMB8 P28062 1/20 0.38
DHODH Q02127 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4717701 0.81 MGAM (0.48) ADORA3ADORA1MGAMGAASI
SCHEMBL4716304 0.80 GAA (0.47) ADORA3ADORA1MGAMGAASI
SCHEMBL4715176 0.79 MGAM (0.43) ADORA3ADORA1MGAMGAASI
SCHEMBL4712950 0.76 ALDH1A1 (0.44) ADORA3ADORA1MGAMGAASI
SCHEMBL4717461 0.76 MGAM (0.43) ADORA3ADORA1MGAMGAASI
SCHEMBL27961298 0.74 ADORA1 (0.57) ADORA3ADORA1MGAMGAASI
SCHEMBL4715207 0.73 GAA (0.54) ADORA3ADORA1MGAMGAASI
SCHEMBL5666118 0.72 PARP1 (0.43) ADORA3ADORA1MGAMGAASI
SCHEMBL15330385 0.72 NPY5R (0.50) PTGES
SCHEMBL15330826 0.72 HPGDS (0.54) MGAMGAASIMGAM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 ADORA3 726/4885ADORA1 246/4885MGAM 4641/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.